SCHEMBL9486281

SCHEMBL9486281

COC(=O)c1ccc(NC(=O)c2ccc(OC)c(C(C)(C)C)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.64
NPC1 O15118 5/20 0.64
RAB9A P51151 5/20 0.64
PKM P14618 4/20 0.64
NR1H4 Q96RI1 1/20 0.58
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
TP53 P04637 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPK1 P28482 2/20 0.58
HPGD P15428 1/20 0.58
MAPT P10636 5/20 0.57
ATM Q13315 1/20 0.54
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
PTPN1 P18031 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8460899 0.89 PKM (0.64) SMN1; SMN2NPC1RAB9APKMNR1H4
SCHEMBL8460896 0.86 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9APKMNR1H4
SCHEMBL5027170 0.85 MAPT (0.58) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL9453202 0.81 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9APKMNR1H4
SCHEMBL20064060 0.81 RAB9A (0.62) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL25950796 0.80 RARA (0.53) SMN1; SMN2RAB9ANR1H4MEN1KMT2A
SCHEMBL8442730 0.79 NR1H4 (0.53) SMN1; SMN2NPC1RAB9ANR1H4MEN1
SCHEMBL4611487 0.78 HDAC3 (0.71) SMN1; SMN2NPC1RAB9ANR1H4MEN1
SCHEMBL3882727 0.78 HDAC3 (0.71) SMN1; SMN2NPC1RAB9ANR1H4MEN1
SCHEMBL7301440 0.78 SMN1; SMN2 (0.78) SMN1; SMN2NPC1RAB9APKMNR1H4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232199-B1 AROMATIC BENZAMIDO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AS WELL AS IN COSMETICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1993-02-03 EP claimed